(E)-N-ethoxy-1-(3-propan-2-ylphenyl)ethanimine

C13H19NO — CID 23568826

IUPAC(E)-N-ethoxy-1-(3-propan-2-ylphenyl)ethanimine
SMILESCCO/N=C(\C)c1cccc(C(C)C)c1
InChIInChI=1S/C13H19NO/c1-5-15-14-11(4)13-8-6-7-12(9-13)10(2)3/h6-10H,5H2,1-4H3/b14-11+
InChIKeyBVBXMIAGYJYFMR-SDNWHVSQSA-N
MW205.30 g/mol
LogP3.57
Rot. Bonds4

About (E)-N-ethoxy-1-(3-propan-2-ylphenyl)ethanimine

(E)-N-ethoxy-1-(3-propan-2-ylphenyl)ethanimine (PubChem CID 23568826) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (E)-N-ethoxy-1-(3-propan-2-ylphenyl)ethanimine.

Molecular Properties

Compound Name(E)-N-ethoxy-1-(3-propan-2-ylphenyl)ethanimine
PubChem CID23568826
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(E)-N-ethoxy-1-(3-propan-2-ylphenyl)ethanimine
SMILESCCO/N=C(\C)c1cccc(C(C)C)c1
InChIInChI=1S/C13H19NO/c1-5-15-14-11(4)13-8-6-7-12(9-13)10(2)3/h6-10H,5H2,1-4H3/b14-11+
InChIKeyBVBXMIAGYJYFMR-SDNWHVSQSA-N
XLogP3.57
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-(3-propan-2-ylphenyl)ethanimine
CID 59110491
(E)-1-(3-tert-butylphenyl)-N-ethoxyethanimine
CID 20782602
4-(N-ethoxy-C-methylcarbonimidoyl)benzene-1,2-diol
CID 137214322
4-[(Z)-N-ethoxy-C-methylcarbonimidoyl]-2-methylphenol
CID 136994688
(3-propan-2-ylphenyl)-(4-propan-2-ylphenyl)methanone
CID 170780602
(Z)-N-ethoxy-1-(4-methoxyphenyl)ethanimine
CID 142977776
(E)-N-[(2,6-dichlorophenyl)methoxy]-1-(3-ethylphenyl)ethanimine
CID 22968924
2-[3-[4-[C-methyl-N-[(4-propan-2-ylphenyl)methoxy]carbonimidoyl]phenyl]phenyl]acetic acid
CID 72534054
1-(3-propan-2-ylphenyl)ethenyl (1Z)-ethanehydrazonate
CID 89230428
ethyl 2-(3-prop-1-en-2-ylphenyl)propanoate
CID 68528619
2-phenyl-1-(3-propan-2-ylphenyl)ethanone
CID 146007200
1-hex-1-en-2-yl-3-propan-2-ylbenzene
CID 160544423

Frequently Asked Questions

What is the IUPAC name of (E)-N-ethoxy-1-(3-propan-2-ylphenyl)ethanimine?
The IUPAC name of (E)-N-ethoxy-1-(3-propan-2-ylphenyl)ethanimine (CID 23568826) is (E)-N-ethoxy-1-(3-propan-2-ylphenyl)ethanimine.
What is the SMILES notation for (E)-N-ethoxy-1-(3-propan-2-ylphenyl)ethanimine?
The canonical SMILES for (E)-N-ethoxy-1-(3-propan-2-ylphenyl)ethanimine is CCO/N=C(\C)c1cccc(C(C)C)c1.
What is the InChIKey of (E)-N-ethoxy-1-(3-propan-2-ylphenyl)ethanimine?
The InChIKey is BVBXMIAGYJYFMR-SDNWHVSQSA-N. The full InChI is InChI=1S/C13H19NO/c1-5-15-14-11(4)13-8-6-7-12(9-13)10(2)3/h6-10H,5H2,1-4H3/b14-11+.
What are the key properties of (E)-N-ethoxy-1-(3-propan-2-ylphenyl)ethanimine?
(E)-N-ethoxy-1-(3-propan-2-ylphenyl)ethanimine has a molecular weight of 205.30 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethoxy-1-(3-propan-2-ylphenyl)ethanimine is sourced from PubChem (CID 23568826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).